N-[2-(4,4,4-trifluorobutoxy)propyl]butan-2-amine

C11H22F3NO — CID 82793136

IUPACN-[2-(4,4,4-trifluorobutoxy)propyl]butan-2-amine
SMILESCCC(C)NCC(C)OCCCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-4-9(2)15-8-10(3)16-7-5-6-11(12,13)14/h9-10,15H,4-8H2,1-3H3
InChIKeyBRQVNJSEHIKDMK-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.12
Rot. Bonds8

About N-[2-(4,4,4-trifluorobutoxy)propyl]butan-2-amine

N-[2-(4,4,4-trifluorobutoxy)propyl]butan-2-amine (PubChem CID 82793136) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is N-[2-(4,4,4-trifluorobutoxy)propyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-(4,4,4-trifluorobutoxy)propyl]butan-2-amine
PubChem CID82793136
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC NameN-[2-(4,4,4-trifluorobutoxy)propyl]butan-2-amine
SMILESCCC(C)NCC(C)OCCCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-4-9(2)15-8-10(3)16-7-5-6-11(12,13)14/h9-10,15H,4-8H2,1-3H3
InChIKeyBRQVNJSEHIKDMK-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(4,4,4-trifluorobutoxy)propyl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-propyl-2-(4,4,4-trifluorobutoxy)propan-1-amine
CID 82792300
6,6,6-trifluoro-N-(2-methoxypropyl)hexan-2-amine
CID 102696096
1,1,1-trifluoro-5-pentan-2-yloxypentane
CID 54355138
N-(2-methylpropyl)-4-(4,4,4-trifluorobutoxy)pentan-1-amine
CID 82793365
N-[2-(3,3,3-trifluoropropoxy)propyl]pentan-1-amine
CID 82959356
2-(ethylamino)-2-methyl-4-(4,4,4-trifluorobutoxy)pentan-1-ol
CID 82793916
N-[2-(2-phenylethoxy)propyl]butan-2-amine
CID 115002170
N-(thiophen-2-ylmethyl)-2-(4,4,4-trifluorobutoxy)propan-1-amine
CID 82793135
N-(2-propan-2-yloxypropyl)butan-2-amine
CID 62567669
2-hexoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62598311
N-[2-(2-butoxyethoxy)propyl]pentan-2-amine
CID 62598678
N-[2-(2-methylpentoxy)propyl]butan-2-amine
CID 103285813

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4,4-trifluorobutoxy)propyl]butan-2-amine?
The IUPAC name of N-[2-(4,4,4-trifluorobutoxy)propyl]butan-2-amine (CID 82793136) is N-[2-(4,4,4-trifluorobutoxy)propyl]butan-2-amine.
What is the SMILES notation for N-[2-(4,4,4-trifluorobutoxy)propyl]butan-2-amine?
The canonical SMILES for N-[2-(4,4,4-trifluorobutoxy)propyl]butan-2-amine is CCC(C)NCC(C)OCCCC(F)(F)F.
What is the InChIKey of N-[2-(4,4,4-trifluorobutoxy)propyl]butan-2-amine?
The InChIKey is BRQVNJSEHIKDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-4-9(2)15-8-10(3)16-7-5-6-11(12,13)14/h9-10,15H,4-8H2,1-3H3.
What are the key properties of N-[2-(4,4,4-trifluorobutoxy)propyl]butan-2-amine?
N-[2-(4,4,4-trifluorobutoxy)propyl]butan-2-amine has a molecular weight of 241.30 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4,4-trifluorobutoxy)propyl]butan-2-amine is sourced from PubChem (CID 82793136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).